| SpectraBase Compound ID | 1iJhkVPbPgY |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-25(26)24-19-18-22(2)21-23(24)3/h18-19,21H,4-17,20H2,1-3H3 |
| InChIKey | GOKHOQTZVIRTQG-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2wTW469Bno |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-25(26)24-19-18-22(2)21-23(24)3/h18-19,21H,4-17,20H2,1-3H3 |
| InChIKey | GOKHOQTZVIRTQG-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCCCCCC |